Bioactive Compound Details

BioIDbio1616
NameMUNRONIN C
ChEMBL IDCHEMBL2269411
Molecular FormulaC28H32O9
Molecular Weight512.56
Molecular Weight (Monoisotopic)512.2046
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
SmilesC=C1[C@@H]2[C@@H](OC(=O)C=C[C@@]2(C)[C@H]2CC(=O)OC2(C)C)[C@H](OC(C)=O)[C@@]2(C)[C@H](C3=CCOC3=O)C[C@H]3O[C@]132
InchiInChI=1S/C28H32O9/c1-13-21-22(35-19(30)7-9-26(21,5)17-12-20(31)37-25(17,3)4)23(34-14(2)29)27(6)16(11-18-28(13,27)36-18)15-8-10-33-24(15)32/h7-9,16-18,21-23H,1,10-12H2,2-6H3/t16-,17-,18+,21+,22+,23-,26-,27+,28+/m0/s1
Inchi KeyNIHFQUOLHVRBPD-LELWZTHMSA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities11.0
Np Likeness Score3.68
Records Key['3', '3']
Records Name['Munronin C', 'Munronin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure